BDBM50348625 CHEMBL1801103

SMILES: Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12

InChI Key: InChIKey=IJXKSFMGCXZEEN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50348625   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50348625 (CHEMBL1801103) Show SMILES Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12 Show InChI InChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50348625 (CHEMBL1801103) Show SMILES Cn1cc(cn1)-c1cnc2c(Nc3cc(ns3)C3CCN(CC3)S(C)(=O)=O)nccn12 Show InChI InChI=1S/C19H22N8O2S2/c1-25-12-14(10-22-25)16-11-21-19-18(20-5-8-27(16)19)23-17-9-15(24-30-17)13-3-6-26(7-4-13)31(2,28)29/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair